[5-bromanyl-4-[(E)-2-cyano-3-[(2-ethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] ethanoate

Systemtic Name: [5-bromanyl-4-[(E)-2-cyano-3-[(2-ethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] ethanoate Openeye Name: [5-bromo-4-[(E)-2-cyano-3-(2-ethoxyanilino)-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] acetate CAS Name: acetic acid [5-bromo-4-[(E)-2-cyano-3-(2-ethoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [5-bromo-4-[(E)-2-cyano-3-(2-ethoxyanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] acetate Traditional Name: acetic acid [5-bromo-4-[(E)-2-cyano-3-keto-3-(o-phenetidino)prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C22H21BrN2O5 MolecularWeight: 473.31654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(=CC2=CC(=C(C=C2Br)OC(=O)C)OCC)C#N

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)/C(=C/C2=CC(=C(C=C2Br)OC(=O)C)OCC)/C#N

InChI

InChI=1S/C22H21BrN2O5/c1-4-28-19-9-7-6-8-18(19)25-22(27)16(13-24)10-15-11-20(29-5-2)21(12-17(15)23)30-14(3)26/h6-12H,4-5H2,1-3H3,(H,25,27)/b16-10+